1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide

C24H32N6O6S2 — CID 167135971

About 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide

1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 167135971) has the molecular formula C24H32N6O6S2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
• PubChem CID: 167135971
• Molecular Formula: C24H32N6O6S2
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.18
• IUPAC Name: 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
• SMILES: COCCC(=O)N1CCC(n2c(=O)n(Cc3cnn(C)c3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc32)CC1
• InChI: InChI=1S/C24H32N6O6S2/c1-24(7-8-24)26-38(34,35)20-12-18-21(32)29(15-16-13-25-27(2)14-16)23(33)30(22(18)37-20)17-4-9-28(10-5-17)19(31)6-11-36-3/h12-14,17,26H,4-11,15H2,1-3H3
• InChIKey: WYBAUHUGALWPSB-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 137.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?

The IUPAC name of 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide (CID 167135971) is 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide.

What is the SMILES notation for 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?

The canonical SMILES for 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide is COCCC(=O)N1CCC(n2c(=O)n(Cc3cnn(C)c3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc32)CC1.

What is the InChIKey of 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?

The InChIKey is WYBAUHUGALWPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O6S2/c1-24(7-8-24)26-38(34,35)20-12-18-21(32)29(15-16-13-25-27(2)14-16)23(33)30(22(18)37-20)17-4-9-28(10-5-17)19(31)6-11-36-3/h12-14,17,26H,4-11,15H2,1-3H3.

What are the key properties of 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?

1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 564.69 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 167135971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).